(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]

C22H18 — CID 145077433

IUPAC(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
SMILESC=C1C(=C)C2(C(=C)/C(=C\C)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H18/c1-5-17-16(4)22(21-13-9-7-11-19(17)21)15(3)14(2)18-10-6-8-12-20(18)22/h5-13H,2-4H2,1H3/b17-5+
InChIKeyLBPWEWMBTUOLBZ-YAXRCOADSA-N
MW282.39 g/mol
LogP5.53
Rot. Bonds

About (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]

(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene] (PubChem CID 145077433) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene].

Molecular Properties

Compound Name(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
PubChem CID145077433
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
SMILESC=C1C(=C)C2(C(=C)/C(=C\C)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H18/c1-5-17-16(4)22(21-13-9-7-11-19(17)21)15(3)14(2)18-10-6-8-12-20(18)22/h5-13H,2-4H2,1H3/b17-5+
InChIKeyLBPWEWMBTUOLBZ-YAXRCOADSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]?
The IUPAC name of (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene] (CID 145077433) is (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene].
What is the SMILES notation for (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]?
The canonical SMILES for (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene] is C=C1C(=C)C2(C(=C)/C(=C\C)c3ccccc32)c2ccccc21.
What is the InChIKey of (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]?
The InChIKey is LBPWEWMBTUOLBZ-YAXRCOADSA-N. The full InChI is InChI=1S/C22H18/c1-5-17-16(4)22(21-13-9-7-11-19(17)21)15(3)14(2)18-10-6-8-12-20(18)22/h5-13H,2-4H2,1H3/b17-5+.
What are the key properties of (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]?
(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene] has a molecular weight of 282.39 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene] is sourced from PubChem (CID 145077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).